A Length-Gauge Origin-Invariant Approach to Vibrational Circular Dichroism Spectra without Gauge-Including Atomic Orbitals

Brendan M. Shumberger, James R. Cheeseman, Marco Caricato +1

We have extended the origin-invariant length gauge (LG(OI)) approach -- originally developed by Caricato and co-workers for optical rotation (OR) and electronic circular dichroism…